Information card for entry 2008845

Structure parameters

• Formula: C18 H24 N2 O4 S
• Calculated formula: C18 H24 N2 O4 S
• SMILES: S(=O)(N=Cc1ccc(N(=O)=O)cc1)[C@@H]1[C@H]2CC[C@@]([C@@H]1OC)(C2(C)C)C
• Title of publication: (<i>R</i>~S~)-(1<i>R</i>,2<i>S</i>,3<i>R</i>)-2-Methoxy-1,7,7-trimethyl-<i>N</i>-(4-nitrobenzylidene)bicyclo[2.2.1]heptane-3-sulfinamide
• Authors of publication: Wei Zhu; Guishu Yang; Kaibai Yu
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 8
• Pages of publication: IUC9900090
• a: 7.844 ± 0.003 Å
• b: 7.035 ± 0.003 Å
• c: 17.696 ± 0.007 Å
• α: 90°
• β: 100.6 ± 0.03°
• γ: 90°
• Cell volume: 959.8 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.105
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for all reflections included in the refinement: 0.088
• Goodness-of-fit parameter for all reflections included in the refinement: 0.782
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes